Geometry & MOs

Info

ID:	277699
PubChem CID:	103830457
Reduced:	BrSN2O2C13H13 (1)
Stoich.:	ABC2D2E13F13 (1)
Weight, g/mol:	298.93641
ΔH_f, kcal/mol:	-38.22
Dipole, Da:	5.51
IP(EA), eV:	-9.35(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-hydroxy-N-(1,3,4-thiadiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CCNC(=O)C2=CC(=C(C=C2)Br)O

DOS

IR

Vibrations